3-chloro-4-fluoro-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
3-chloro-4-fluoro-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M071-0459 |
| Compound Name: | 3-chloro-4-fluoro-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide |
| Molecular Weight: | 448.94 |
| Molecular Formula: | C16 H14 Cl F N2 O4 S3 |
| Smiles: | CCCS(c1nc2ccc(cc2s1)NS(c1ccc(c(c1)[Cl])F)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0651 |
| logD: | 3.464 |
| logSw: | -4.2994 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.42 |
| InChI Key: | RTHSIBAAPFBOOU-UHFFFAOYSA-N |